Compound Identification
SMILES
OC1(O)CC2=C(SC(N=C([O-])C[NH+]3CCCC3)=N2)C(=O)C1
InChIKey
InChIKey=KNZANXIAOIZLDP-UHFFFAOYSA-N
Formula
C13H17N3O4S
Mass
311.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
- Level 7 Aryl alkyl ketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones
Direct Parent
Aryl alkyl ketones
Alternative Parents
N-alkylpyrrolidines Thiazoles Quaternary ammonium salts Heteroaromatic compounds Trialkylamines Propargyl-type 1,3-dipolar organic compounds Carboximidic acids Carbonyl hydrates Azacyclic compounds 1,1-diols Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl alkyl ketone - N-alkylpyrrolidine - Azole - Heteroaromatic compound - Pyrrolidine - Thiazole - Quaternary ammonium salt - Tertiary aliphatic amine - Carbonyl hydrate - Carboximidic acid - Azacycle - Organoheterocyclic compound - 1,1-diol - Carboximidic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Amine - Organic zwitterion - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
External Descriptors
Not available